My question is, how do I calculate the carrier concentration from a DFT study? I am using MedeA VASP for the DFT simulation.

  • $\begingroup$ +1 and welcome to the site! Thanks you for contributing your question here, and we hope to see much more of you in the future !!! I haven't used MedeA-VASP before, but you might find this thread helpful: mattermodeling.stackexchange.com/q/1549/5 $\endgroup$ Sep 30, 2021 at 21:00
  • $\begingroup$ Also not a VASP user, but there was a brief thread about this on the VASP forum: vasp.at/forum/viewtopic.php?t=17609&p=18715 $\endgroup$
    – Tyberius
    Oct 1, 2021 at 13:48
  • $\begingroup$ Can pl suggest method to calculate Carrier concentration from Density of state.... thank you in advance $\endgroup$
    – Debidatta
    Oct 2, 2021 at 14:05